2,3,5,6-tetrabromothieno[3,2-b]thiophene

C6Br4S2 — CID 2762568

IUPAC2,3,5,6-tetrabromothieno[3,2-b]thiophene
SMILESBrc1sc2c(Br)c(Br)sc2c1Br
InChIInChI=1S/C6Br4S2/c7-1-3-4(12-5(1)9)2(8)6(10)11-3
InChIKeyCWCKRNKYWPNOAZ-UHFFFAOYSA-N
MW455.82 g/mol
LogP6.01
Rot. Bonds

About 2,3,5,6-tetrabromothieno[3,2-b]thiophene

2,3,5,6-tetrabromothieno[3,2-b]thiophene (PubChem CID 2762568) has the molecular formula C6Br4S2 and a molecular weight of 455.82 g/mol. Its IUPAC name is 2,3,5,6-tetrabromothieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,3,5,6-tetrabromothieno[3,2-b]thiophene
PubChem CID2762568
Molecular FormulaC6Br4S2
Molecular Weight455.82 g/mol
Exact Mass451.62
IUPAC Name2,3,5,6-tetrabromothieno[3,2-b]thiophene
SMILESBrc1sc2c(Br)c(Br)sc2c1Br
InChIInChI=1S/C6Br4S2/c7-1-3-4(12-5(1)9)2(8)6(10)11-3
InChIKeyCWCKRNKYWPNOAZ-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.82
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrabromothieno[3,2-b]thiophene?
The IUPAC name of 2,3,5,6-tetrabromothieno[3,2-b]thiophene (CID 2762568) is 2,3,5,6-tetrabromothieno[3,2-b]thiophene.
What is the SMILES notation for 2,3,5,6-tetrabromothieno[3,2-b]thiophene?
The canonical SMILES for 2,3,5,6-tetrabromothieno[3,2-b]thiophene is Brc1sc2c(Br)c(Br)sc2c1Br.
What is the InChIKey of 2,3,5,6-tetrabromothieno[3,2-b]thiophene?
The InChIKey is CWCKRNKYWPNOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br4S2/c7-1-3-4(12-5(1)9)2(8)6(10)11-3.
What are the key properties of 2,3,5,6-tetrabromothieno[3,2-b]thiophene?
2,3,5,6-tetrabromothieno[3,2-b]thiophene has a molecular weight of 455.82 g/mol, XLogP of 6.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrabromothieno[3,2-b]thiophene is sourced from PubChem (CID 2762568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).